7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

C15H23N3O — CID 83957040

IUPAC7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1CN1CCNCC1)CCNC2
InChIInChI=1S/C15H23N3O/c1-19-15-9-13-10-17-3-2-12(13)8-14(15)11-18-6-4-16-5-7-18/h8-9,16-17H,2-7,10-11H2,1H3
InChIKeyNKEYYVUNBLQRJN-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.75
Rot. Bonds3

About 7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83957040) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID83957040
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1CN1CCNCC1)CCNC2
InChIInChI=1S/C15H23N3O/c1-19-15-9-13-10-17-3-2-12(13)8-14(15)11-18-6-4-16-5-7-18/h8-9,16-17H,2-7,10-11H2,1H3
InChIKeyNKEYYVUNBLQRJN-UHFFFAOYSA-N
XLogP0.75
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 83956913
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine
CID 83957041
1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine
CID 117349508
1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine
CID 117461783
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperazine
CID 117379704
ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 166464794
7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 82279765
1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperazine
CID 117454038
1-[(5-methoxy-1,3-benzoxathiol-6-yl)methyl]piperazine
CID 117420235

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline (CID 83957040) is 7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1CN1CCNCC1)CCNC2.
What is the InChIKey of 7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NKEYYVUNBLQRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-19-15-9-13-10-17-3-2-12(13)8-14(15)11-18-6-4-16-5-7-18/h8-9,16-17H,2-7,10-11H2,1H3.
What are the key properties of 7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 261.37 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83957040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).